Research article summary (published 29 Apr 2003):

Screening of high production volume chemicals for estrogen receptor binding activity (II) by the MultiCASE expert system.

Full Abstract

A structurally and functionally diverse and cross-validated quantitative structure-activity knowledge database generated by the MultiCASE expert system was used to screen 2526 high production volume chemicals (HPVCs) for their estrogen receptor binding activity. 73 HPVCs were found to contain structural features or biophores that have been documented as having the ability to bind to the estrogen receptor. Potential chemicals were ranked according to their quantitatively predicted ER binding potential and the details of the biophores found in them are discussed.

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Author information

Author/s: Klopman, Gilles (G); Chakravarti, Suman K (SK);

Affiliation: Department of Chemistry, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, OH 44106, USA. gxk6(-atsign-)po.cwru.edu

Journal and publication information

Publication Type: Journal Article

Journal: Chemosphere (Chemosphere), published in England. (Language: eng)

Reference: 2003-May; vol 51 (issue 6) : pp 461-8

Dates: Created 2003/03/04; Completed 2003/05/06; Revised 2004/11/17;

PMID: 12615097, status: MEDLINE (last retrieval date: 11/6/2008)

Sourced from the National Library of Medicine. Abstract text and other information may be subject to copyright.

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MeSH headings (categories)

This article was linked to the MESH Headings shown below.

Animals Artificial Intelligence Binding Sites Databases, Factual Endocrine System - drug effects

Forecasting Humans Receptors, Estrogen - drug effects; metabolism Structure-Activity Relationship Xenobiotics - adverse effects

Associated Chemicals: Receptors, Estrogen (0) ; Xenobiotics (0)

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